SCHEMBL8074754

SCHEMBL8074754

Fc1[c]cccc1-c1ccccc1OCc1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.51
HTR1A P08908 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
DHFR P00374 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 2/20 0.44
ESR1 P03372 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
BLM P54132 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL920526 0.88 MCL1 (0.56) MCL1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8079401 0.82 PTGER1 (0.49) MCL1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13460593 0.77 MAPT (0.54) MCL1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8074756 0.76 MCL1 (0.45) MCL1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7461166 0.73 IDO1 (0.41) MCL1LMNAALDH1A1USP2MAPT
SCHEMBL434572 0.73 NOTUM (0.35) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL920301 0.73 HPGD (0.48) MCL1HTR1ALMNAALDH1A1MAPT
SCHEMBL919555 0.73 IDO1 (0.51) MCL1HTR1AALDH1A1MAPTPKM
SCHEMBL921903 0.73 CDK4 (0.48) MCL1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL11739704 0.73 APP (0.44) LMNAALDH1A1TP53GAAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed